Molecule FYI-1010050

A

Molecule Summary:

ID: FYI-1010050
Names:
InChIKey: URYPPVMQQUERGK-IRBJMCNESA-N
SMILES: CCCCCCC[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](O)C(C)C)C(=O)NC(C)C(=O)N[C@H](C(O)C(C)C)C(=O)NC(CCC(N)=O)C(=O)N(C)C([C@@H](C)CC)C(=O)N[C@H]([C@@H](O)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)NC(CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N2

Received at FYIcenter.com on: 2024-05-26

Molecule ID: FYI-1010050 Edit

Molecule Structure InChIKey: URYPPVMQQUERGK-IRBJMCNESA-N

Molecule Structure SMILES String: CCCCCCC[C@@H]2CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](O)C(C)C)C(=O)NC(C)C(=O)N[C@H](C(O)C(C)C)C(=O)NC(CCC(N)=O)C(=O)N(C)C([C@@H](C)CC)C(=O)N[C@H]([C@@H](O)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)NC(CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1010050
FYIcenter.com

 98 99  0  0  1  0  0  0  0  0999 V2000
   28.2684   15.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0560   14.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8434   15.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6310   14.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4186   15.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2062   14.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9937   15.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7813   14.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9810   15.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9981   16.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9081   17.7428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8607   17.4955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6018   18.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2575   18.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5331   19.8716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8665   18.6571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4687   18.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1044   18.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6756   19.5963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8129   17.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6313   16.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5936   16.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5692   16.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7295   14.9311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0641   13.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6164   12.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2567   12.7065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994   10.9898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4193    9.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6753    8.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3256    7.8416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1603    6.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8603    5.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7552    4.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7582    3.6281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8192    3.7011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0215    2.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3279    2.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9368    1.1361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7004    2.2049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0999    2.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4859    2.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8002    0.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8187    2.7916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0514    1.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4362    1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0594    2.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0596    3.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1733    4.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1132    3.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1277    5.3122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8952    6.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4537    7.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7802    7.3192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7873    9.1265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8863   10.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7478   11.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1242   12.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3760   13.2659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2862   10.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0032    9.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9689   11.7651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1269    5.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1666    4.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9745    3.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3983    3.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1791    0.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292    0.1372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4090    1.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    1.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2285    2.7860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    0.3672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1930    0.5652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7116    4.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8303    3.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4442    5.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2955    4.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8929    6.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0261    9.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2096   10.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8165   10.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2398    9.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7803   14.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222   15.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7478   16.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384   16.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6548   13.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7830   18.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2713   19.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3728   20.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6719   20.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1754   22.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9722   20.4859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1054   19.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4885   19.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2259   20.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  6  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  1  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  1  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  6  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 42  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 48 44  1  6  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 51 49  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  2  0  0  0  0
 55 53  1  0  0  0  0
 56 55  1  6  0  0  0
 57 56  1  0  0  0  0
 58 57  2  0  0  0  0
 59 57  1  0  0  0  0
 59  8  1  0  0  0  0
 60 56  1  0  0  0  0
 61 60  1  0  0  0  0
 62 60  1  0  0  0  0
 63 52  1  0  0  0  0
 64 63  1  0  0  0  0
 65 64  1  0  0  0  0
 66 64  1  0  0  0  0
 67 41  1  0  0  0  0
 68 67  1  0  0  0  0
 67 69  1  6  0  0  0
 70 37  1  0  0  0  0
 71 70  1  0  0  0  0
 72 71  2  0  0  0  0
 73 71  1  0  0  0  0
 70 74  1  1  0  0  0
 75 33  1  0  0  0  0
 75 76  1  1  0  0  0
 77 75  1  0  0  0  0
 78 77  1  0  0  0  0
 79 32  1  0  0  0  0
 80 29  1  0  0  0  0
 81 80  1  0  0  0  0
 82 81  1  0  0  0  0
 83 82  2  0  0  0  0
 84 82  1  0  0  0  0
 85 25  1  0  0  0  0
 86 85  1  0  0  0  0
 87 86  1  0  0  0  0
 88 86  1  0  0  0  0
 89 85  1  0  0  0  0
 90 21  1  0  0  0  0
 91 17  1  0  0  0  0
 92 91  1  0  0  0  0
 93 92  1  0  0  0  0
 94 92  1  0  0  0  0
 91 95  1  1  0  0  0
 13 96  1  6  0  0  0
 97 96  1  0  0  0  0
 98 96  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010050-3D
FYIcenter.com

212213  0  0  1  0  0  0  0  0999 V2000
    1.2174   -8.0810   -2.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4916   -7.4811   -3.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0782   -6.4440   -2.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3487   -5.9128   -2.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0549   -4.8574   -1.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3038   -4.4718   -2.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1016   -3.4141   -2.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5859   -3.1944   -2.5424 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7914   -2.5998   -4.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6619   -1.8364   -5.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1531   -2.0093   -6.6207 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7020   -0.8981   -5.5535 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4947    0.0774   -4.6641 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0253    0.3213   -5.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3976    0.8519   -6.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8813   -0.9047   -4.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8558    1.5606   -4.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6527    2.3351   -5.3905 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4724    2.0084   -3.1966 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2497    1.1637   -2.0431 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3697   -0.0035   -2.4433 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1421   -1.1851   -2.1522 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7587    0.0135   -2.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4757    0.7346   -4.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4863    0.1580   -2.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7329    0.8227   -1.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7444    0.8045   -2.2027 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0037    0.5106   -0.2186 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2017    0.8906    0.8782 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7004    2.3328    0.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1455   -0.1358    0.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8432   -1.0537    0.1504 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3631   -0.0569    2.0076 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9409   -0.4556    3.3060 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9963   -1.5749    3.6564 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2807   -2.7030    2.8151 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5069   -1.0644    3.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5598   -2.2354    3.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2825    0.4934    3.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1302    0.6168    4.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7436    1.6204    4.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6083    0.5302    5.7417 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6642   -0.2718    6.7502 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2566   -0.7852    6.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3435   -1.7087    7.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7793   -0.9992    8.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9176   -1.7094    9.1745 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417    0.1563    8.6548 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3243   -1.5567    7.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2660   -2.5838    6.5336 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0011   -1.5626    8.4040 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3401   -0.9838    9.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9006   -2.7469    8.5090 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.2984   -2.3991    9.1122 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0737   -1.4571    8.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3386   -1.7618   10.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7833   -2.6735   11.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0918   -4.0648    8.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3289   -4.0438    9.9077 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0747   -5.2667    8.2609 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3833   -5.6203    6.8523 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5811   -6.8863    6.2193 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1399   -8.1327    6.6673 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1317   -7.4636    6.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2194   -7.1823    5.3394 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8531   -8.4079    7.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0239   -5.4842    6.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5521   -4.3658    6.7126 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9287   -6.5151    6.8474 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6182   -7.9640    6.7402 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0073   -8.3005    8.2360 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2052   -9.5399    8.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1256   -8.1561    9.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0416   -7.8884    5.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6864   -6.8006    4.6493 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8605   -8.9733    4.3707 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7025   -9.1471    3.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8099  -10.5957    3.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2325  -11.0300    3.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9626   -9.7698    3.8858 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0104   -9.2773    2.8313 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1224   -9.8374    2.8493 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8637   -8.4101    1.8040 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7728   -7.7398    1.0664 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8878   -8.7519    0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5831   -9.6178   -0.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5613  -10.6131   -1.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2449   -8.8327   -1.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1931   -6.4880    1.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8907   -5.8957    2.6390 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9749   -5.9066    1.4296 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9193   -4.6664    0.4669 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3732   -4.2306    0.1750 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.5841   -3.0416   -0.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1522   -5.2677   -0.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6635   -4.7268   -0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6592   -5.3829   -0.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6632   -4.1581   -1.9367 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8238   -8.8217   -3.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4591   -7.3068   -2.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4051   -8.5757   -1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2890   -7.0163   -4.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2252   -8.2781   -3.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2982   -6.8979   -1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -5.6289   -1.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1135   -5.4877   -3.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0433   -6.7454   -2.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264   -5.2545   -0.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3961   -3.9952   -1.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9863   -4.0819   -3.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9315   -5.3479   -2.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1174   -3.5815   -0.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4971   -2.5018   -2.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6592   -2.3421   -1.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0443   -1.6782   -3.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7435   -2.4430   -4.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8406   -0.6511   -6.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5303   -0.4492   -3.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3835    1.1182   -4.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0952    0.1670   -7.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4903    0.9749   -6.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750    1.8440   -6.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5607   -1.7702   -5.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8236   -1.1556   -3.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9392   -0.7136   -4.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0591    2.9328   -3.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6452    1.6793   -1.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6013   -0.0228   -3.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2138   -1.3352   -1.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5533   -1.0082   -3.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    1.7940   -4.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5950    0.2827   -4.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759    0.6199   -4.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2851    1.1614   -1.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3855   -0.5842   -1.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6345   -0.0811   -2.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9186    0.1689   -0.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8355    0.7484    1.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3535    2.7264   -0.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6072    3.0410    1.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9205    2.5094    1.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6562   -0.7027    1.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9362   -0.8418    3.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019   -1.9090    4.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7156   -2.6654    2.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2369   -1.0169    2.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6700   -2.7645    4.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7912   -3.0297    3.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245   -1.9349    3.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8081    0.8878    4.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2547    0.8118    3.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907    1.1524    3.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8949    1.4040    6.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5159    0.4603    7.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5986   -0.0216    5.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5300   -1.4772    5.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8396   -2.6403    7.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917   -2.0201    6.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5487   -2.6189    8.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5246   -1.2161    9.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4862   -0.3656    9.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100   -0.3332   10.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9288   -1.7634   10.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1635   -2.9491    7.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8733   -3.3305    9.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4911   -0.5682    7.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3385   -1.9715    7.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0126   -1.1094    8.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3793   -1.5320   10.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8440   -0.7890   10.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3780   -3.5900   11.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7485   -2.9421   11.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8079   -2.1821   12.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4563   -5.9078    8.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0332   -4.7840    6.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7045   -6.8385    5.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5617   -8.4317    7.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4687   -7.8710    5.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5227   -6.8710    4.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8969   -6.2292    6.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5836   -8.4750    6.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3667   -7.4594    8.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8204  -10.4219    8.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3263   -9.8618    8.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7901   -9.2827    9.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0114   -8.7679    9.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6997   -8.4381    2.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7755   -8.9538    4.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6014  -10.7552    1.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0603  -11.2086    3.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7455  -11.5680    2.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1395  -11.7048    4.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5727   -9.9732    4.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7619   -8.2708    1.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3285   -7.2787    0.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9580   -8.3094   -0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6081   -9.4812    1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3724  -10.2078   -0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7101  -10.0938   -1.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1773  -11.2533   -0.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0110  -11.2649   -2.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5452   -8.1441   -2.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6341   -9.5171   -2.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1027   -8.2589   -1.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6725   -5.5156    2.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5446   -3.8757    1.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8437   -3.9914    1.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3364   -3.2777   -1.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6699   -2.7998   -0.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0529   -2.1788   -0.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5880   -5.7325   -1.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4588   -4.9637   -2.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 99  1  0  0  0  0
  1100  1  0  0  0  0
  1101  1  0  0  0  0
  2  3  1  0  0  0  0
  2102  1  0  0  0  0
  2103  1  0  0  0  0
  3  4  1  0  0  0  0
  3104  1  0  0  0  0
  3105  1  0  0  0  0
  4  5  1  0  0  0  0
  4106  1  0  0  0  0
  4107  1  0  0  0  0
  5  6  1  0  0  0  0
  5108  1  0  0  0  0
  5109  1  0  0  0  0
  6  7  1  0  0  0  0
  6110  1  0  0  0  0
  6111  1  0  0  0  0
  7  8  1  0  0  0  0
  7112  1  0  0  0  0
  7113  1  0  0  0  0
  8  9  1  0  0  0  0
  8 98  1  0  0  0  0
  8114  1  1  0  0  0
  9 10  1  0  0  0  0
  9115  1  0  0  0  0
  9116  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12117  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13118  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14119  1  0  0  0  0
 15120  1  0  0  0  0
 15121  1  0  0  0  0
 15122  1  0  0  0  0
 16123  1  0  0  0  0
 16124  1  0  0  0  0
 16125  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19126  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20127  1  1  0  0  0
 21 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21128  1  6  0  0  0
 22129  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23130  1  0  0  0  0
 24131  1  0  0  0  0
 24132  1  0  0  0  0
 24133  1  0  0  0  0
 25134  1  0  0  0  0
 25135  1  0  0  0  0
 25136  1  0  0  0  0
 26 28  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28137  1  0  0  0  0
 29 31  1  0  0  0  0
 29 30  1  0  0  0  0
 29138  1  0  0  0  0
 30139  1  0  0  0  0
 30140  1  0  0  0  0
 30141  1  0  0  0  0
 31 33  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  1  0  0  0  0
 33142  1  0  0  0  0
 34 40  1  0  0  0  0
 34 35  1  0  0  0  0
 34143  1  6  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35144  1  0  0  0  0
 36145  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37146  1  0  0  0  0
 38147  1  0  0  0  0
 38148  1  0  0  0  0
 38149  1  0  0  0  0
 39150  1  0  0  0  0
 39151  1  0  0  0  0
 39152  1  0  0  0  0
 40 42  1  0  0  0  0
 40 41  2  0  0  0  0
 42 43  1  0  0  0  0
 42153  1  0  0  0  0
 43 49  1  0  0  0  0
 43 44  1  0  0  0  0
 43154  1  0  0  0  0
 44 45  1  0  0  0  0
 44155  1  0  0  0  0
 44156  1  0  0  0  0
 45 46  1  0  0  0  0
 45157  1  0  0  0  0
 45158  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
 47159  1  0  0  0  0
 47160  1  0  0  0  0
 49 51  1  0  0  0  0
 49 50  2  0  0  0  0
 51 53  1  0  0  0  0
 51 52  1  0  0  0  0
 52161  1  0  0  0  0
 52162  1  0  0  0  0
 52163  1  0  0  0  0
 53 58  1  0  0  0  0
 53 54  1  0  0  0  0
 53164  1  0  0  0  0
 54 56  1  0  0  0  0
 54 55  1  0  0  0  0
 54165  1  1  0  0  0
 55166  1  0  0  0  0
 55167  1  0  0  0  0
 55168  1  0  0  0  0
 56 57  1  0  0  0  0
 56169  1  0  0  0  0
 56170  1  0  0  0  0
 57171  1  0  0  0  0
 57172  1  0  0  0  0
 57173  1  0  0  0  0
 58 60  1  0  0  0  0
 58 59  2  0  0  0  0
 60 61  1  0  0  0  0
 60174  1  0  0  0  0
 61 67  1  0  0  0  0
 61 62  1  0  0  0  0
 61175  1  6  0  0  0
 62 64  1  0  0  0  0
 62 63  1  0  0  0  0
 62176  1  6  0  0  0
 63177  1  0  0  0  0
 64 65  1  0  0  0  0
 64 66  2  0  0  0  0
 65178  1  0  0  0  0
 65179  1  0  0  0  0
 67 69  1  0  0  0  0
 67 68  2  0  0  0  0
 69 70  1  0  0  0  0
 69180  1  0  0  0  0
 70 74  1  0  0  0  0
 70 71  1  0  0  0  0
 70181  1  6  0  0  0
 71 73  1  0  0  0  0
 71 72  1  0  0  0  0
 71182  1  1  0  0  0
 72183  1  0  0  0  0
 72184  1  0  0  0  0
 72185  1  0  0  0  0
 73186  1  0  0  0  0
 74 76  1  0  0  0  0
 74 75  2  0  0  0  0
 76 77  1  0  0  0  0
 76 80  1  0  0  0  0
 77 78  1  0  0  0  0
 77187  1  0  0  0  0
 77188  1  0  0  0  0
 78 79  1  0  0  0  0
 78189  1  0  0  0  0
 78190  1  0  0  0  0
 79 80  1  0  0  0  0
 79191  1  0  0  0  0
 79192  1  0  0  0  0
 80 81  1  0  0  0  0
 80193  1  1  0  0  0
 81 83  1  0  0  0  0
 81 82  2  0  0  0  0
 83 84  1  0  0  0  0
 83194  1  0  0  0  0
 84 89  1  0  0  0  0
 84 85  1  0  0  0  0
 84195  1  0  0  0  0
 85 86  1  0  0  0  0
 85196  1  0  0  0  0
 85197  1  0  0  0  0
 86 87  1  0  0  0  0
 86 88  1  0  0  0  0
 86198  1  0  0  0  0
 87199  1  0  0  0  0
 87200  1  0  0  0  0
 87201  1  0  0  0  0
 88202  1  0  0  0  0
 88203  1  0  0  0  0
 88204  1  0  0  0  0
 89 91  1  0  0  0  0
 89 90  2  0  0  0  0
 91 92  1  0  0  0  0
 91205  1  0  0  0  0
 92 96  1  0  0  0  0
 92 93  1  0  0  0  0
 92206  1  1  0  0  0
 93 94  1  0  0  0  0
 93 95  1  0  0  0  0
 93207  1  0  0  0  0
 94208  1  0  0  0  0
 94209  1  0  0  0  0
 94210  1  0  0  0  0
 95211  1  0  0  0  0
 96 98  1  0  0  0  0
 96 97  2  0  0  0  0
 98212  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1604👍, 0💬